[5-(phenylmethyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(phenylmethyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (5-benzyl-2,3-dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(phenylmethyl)-2,3-dihydrobenzofuran-2-yl]methyl ester IUPAC Name: (5-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzylcoumaran-2-yl)methyl ester Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3=C(O2)C=CC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22O4S/c1-17-7-10-22(11-8-17)28(24,25)26-16-21-15-20-14-19(9-12-23(20)27-21)13-18-5-3-2-4-6-18/h2-12,14,21H,13,15-16H2,1H3